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CHEBI:216376 - Urukthapelstatin A

ChEBI IDCHEBI:216376
ChEBI NameUrukthapelstatin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H30N8O6S2
Net Charge0
Average Mass710.798
Monoisotopic Mass710.17297
SMILESC/C=C1\NC(=O)[C@H](C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)c2nc(oc2-c2ccccc2)-c2csc(n2)-c2csc(n2)-c2coc(n2)-c2coc1n2
InChIInChI=1S/C34H30N8O6S2/c1-5-16(3)24-28(44)35-17(4)27(43)36-19(6-2)30-37-20(12-46-30)31-38-21(13-47-31)33-40-23(15-50-33)34-39-22(14-49-34)32-42-25(29(45)41-24)26(48-32)18-10-8-7-9-11-18/h6-17,24H,5H2,1-4H3,(H,35,44)(H,36,43)(H,41,45)/b19-6-/t16-,17-,24+/m0/s1
InChIKeyLDFMSIKUSPHBGH-GTAKYJCGSA-N
Species of MetaboliteComponentSourceComments
Mechercharimyces (ncbitaxon:482144) - PubMed (17456976)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Urukthapelstatin A (CHEBI:216376) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(20R,23S,26Z)-20-[(2S)-butan-2-yl]-26-ethylidene-23-methyl-16-phenyl-3,15,28-trioxa-7,11-dithia-19,22,25,30,31,32,33,34-octazahexacyclo[25.2.1.12,5.16,9.110,13.114,17]tetratriaconta-1(29),2(34),4,6(33),8,10(32),12,14(31),16,27(30)-decaene-18,21,24-trione
Manual XrefsDatabases
17591870ChemSpider